Mol:FL2FDBNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.4308 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7619 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9175 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9175 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3109 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.3109 -1.0137 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.788 0.7291 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.0735 1.4262 S SKP 8 ID FL2FDBNS0001 KNApSAcK_ID C00008229 NAME Naringenin trimethyl ether CAS_RN 38302-15-7 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 M END